(Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine

C12H16ClN — CID 100948034

IUPAC(Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine
SMILESCC(/C(Cl)=C/c1ccccc1)N(C)C
InChIInChI=1S/C12H16ClN/c1-10(14(2)3)12(13)9-11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9-
InChIKeyAJUHXQFKQUOFFC-XFXZXTDPSA-N
MW209.72 g/mol
LogP3.22
Rot. Bonds3

About (Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine

(Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine (PubChem CID 100948034) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine.

Molecular Properties

Compound Name(Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine
PubChem CID100948034
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine
SMILESCC(/C(Cl)=C/c1ccccc1)N(C)C
InChIInChI=1S/C12H16ClN/c1-10(14(2)3)12(13)9-11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9-
InChIKeyAJUHXQFKQUOFFC-XFXZXTDPSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(dimethylamino)-1-phenylbut-1-en-2-ol
CID 155453900
(2-chloro-3,3-difluoroprop-1-enyl)benzene
CID 175913510
N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline
CID 132574218
[(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate
CID 10823055
N-[(E)-1-chloro-2-phenylethenyl]-N-methylaniline
CID 132574216
(2-chloro-4-methylpent-1-enyl)benzene
CID 175414445
(E,5R)-2-chloro-5-hydroxy-1-phenylhex-1-en-3-one
CID 177494655
(E)-N,N-dimethyl-1-phenylprop-1-en-2-amine
CID 12573346
(3E)-3-benzylidenepentan-2-ol
CID 135080947
(E,2S)-3,4-diphenylbut-3-en-2-ol
CID 177489258
(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
CID 13214341
diethyl 2-[(Z)-3-chloro-4-phenylbut-3-en-2-yl]propanedioate
CID 10687468

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine?
The IUPAC name of (Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine (CID 100948034) is (Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine.
What is the SMILES notation for (Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine?
The canonical SMILES for (Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine is CC(/C(Cl)=C/c1ccccc1)N(C)C.
What is the InChIKey of (Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine?
The InChIKey is AJUHXQFKQUOFFC-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H16ClN/c1-10(14(2)3)12(13)9-11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9-.
What are the key properties of (Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine?
(Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine has a molecular weight of 209.72 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine is sourced from PubChem (CID 100948034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).